导师信息#北京理工大学化学学院研究生导师介绍#陈世稆

姓名：陈世稆

职务职称：教授，博士生导师

电子邮件：shlchen@bit.edu.cn

主要经历:

2012/07–至今 ，北京理工大学
，化学学院，教授；

2010/10–2012/07 ，北京理工大学，化学学院
，副教授；

2009/04–2010/09，瑞典斯得哥尔摩大学 ，物理系
，博士后；

2005/11–2009/02，瑞典皇家工学院 ，生物技术学院
，“生物技术 ”博士；

2004/09–2008/01，北京师范大学 ，化学学院
，“物理化学
”博士；

2001/09–2004/07，北京师范大学 ，化学系
，“分析化学”硕士；

1997/09–2001/07，北京师范大学 ，化学系，“化学教育 ”学士

研究方向：生物酶催化反应机理的理论研究 。

主要研究兴趣在计算生物学方面
，尤其是金属酶的催化反应机理
。运用理论化学手段，主要是密度泛函理论（DFT）方法 ，研究各种金属酶的催化反应机理。研究对象包括多种过渡金属酶
，有含镍金属酶(Methyl-CoenzymeMReductase,COdehydrogenase等),维生素B12依赖酶(methioninesynthase和Methylmalonyl-CoAmutase),亚氯酸盐岐化酶(chloritemutase)，双锌酶(Phosphotriesterase,GlyoxalaseII,alkalinephosphatase,andAminopeptidasefromAeromonasproteolytica),等等 。

承担课题：

主持了国家自然科学基金项目。参加科技部973项目课题
。

入选2015年北京市科技新星计划。

获奖情况：

2009年 ，获得中国国家留学基金管理委员会颁发的“2008年度国家优秀自费留学生奖” 。2011年
，获北京理工大学2010年度“优秀青年教师
”奖
。

发表论文：

[1]Hai-MeiZhangandShi-LuChen*,IncludeDispersioninQuantumChemicalModelingofEnzymaticReactions:TheCaseofIsoaspartylDipeptidase,J.Chem.TheoryComput.,2015,11(6),2525-2535.

[2]BoZou,LiangHao,Lin-YuanFan,Zhi-MingGao,Shi-LuChen*,HuiLi*,Chang-WenHu*,HighlyefficientconversionofCO2atatmosphericpressuretocycliccarbonateswithinsitu-generatedhomogeneouscatalystsfromacopper-containingcoordinationpolymer,JournalofCatalysis,2015,329,119-129.

[3]NanGuo,Jin-YiZhong*,Shi-LuChen*,Jing-QuanLiu,QiMin,Rui-XueShi,Experimentalandtheoreticalstudiesofhydrolysisofnerveagentsarinbybinuclearzincbiomimeticcatalysts,ChemicalPhysics,2015,457,70-77.

[4]Li-NaYang,Shi-LuChen*,Ze-ShengLi*,HowdoesthesiliconelementperforminJD-dyes:atheoreticalinvestigation,J.Mater.Chem.A,2015,3,8308–8315.

[5]XiaopengWang,LixiaWang,FeiZhao,ChuangangHu,YangZhao,ZhipanZhang*,ShiluChen*,GaoquanShiandLiangtiQu*,Monoatomic-thickgraphiticcarbonnitridedotsongraphenesheetsasanefficientcatalystintheoxygenreductionreaction,Nanoscale,2015,7,3035–3042.

[6]Li-NaYang,Hong-YanZhou,Ping-PingSun,Shi-LuChen*,Ze-ShengLi*,APromisingCandidatewithD-A-A-AArchitectureasanEfficientSensitizerforDye-SensitizedSolarCells,ChemPhysChem,2015,16,601–606.

[7]XiaoyuMa,BoZou,MinhuaCao*,Shi-LuChen*,ChangwenHu*,Nitrogen-dopedporouscarbonmonolithasahighlyefficientcatalystforCO2conversion,J.Mater.Chem.A,2014,2,18360–18366.

[8]Shi-LuChen*,MargaretaR.A.Blomberg,PerE.M.Siegbahn*,AnInvestigationofPossibleCompetingMechanismsforNi-containingMethyl-CoenzymeMReductase,Phys.Chem.Chem.Phys.,2014,16,14029-14035.

[9]Li-NaYang,Zhu-ZhuSun,Quan-SongLi,Shi-LuChen*,Ze-ShengLi*,ThomasA.Niehaus,UnsymmetricalSquaraineDyeContainingDithieno[3,2-b:2′,3′-d]pyrroleasaπ-spacer:aPotentialPhotosensitizerforDye-SensitizedSolarCells,JournalofPowerSources,2014,268,137-145.

[10]Shi-LuChen*,Rong-ZhenLiao*,PhosphateMonoesterHydrolysisbyTrinuclearAlkalinePhosphatase;DFTStudyofTransitionStatesandReactionMechanism,ChemPhysChem,2014,15,2321–2330.

[11]Ying-NanChi,Pan-PanShen,Feng-YunCui,Zheng-GuoLin,Shi-LuChen*,Chang-WenHu*,SymmetryBreakingofα-[H2W12O40]6-DependsontheTransformationofIsopolyoxotungstates,Inorg.Chem.,53,5029–5036,2014.

[12]ShuoSun,Ze-ShengLi,Shi-LuChen*,AdominanthomolyticO–Clbondcleavagewithlow-spintriplet-stateFe(IV)=Oformedisrevealedinthemechanismofheme-dependentchloritedismutase,DaltonTransactions,2014,43,973-981.

[13]Li-NaYang,Zhu-ZhuSun,Shi-LuChen*,Ze-ShengLi*,IodinatedAlIII-BasedPhthalocyaninesarePromisingSensitizersforDye-SensitizedSolarCells;ATheoreticalComparisonBetweenZnII,MgII,andAlIII-BasedPhthalocyanineSensitizers,ChemPhysChem,2014,15,458-466.

[14]Shi-LuChen,Li-NaYang,Ze-ShengLi*,Howtodesignmoreefficientorganicdyesfordye-sensitizedsolarcells?Addingmoresp2-hybridizednitrogeninthetriphenylaminedonor,JournalofPowerSources,2013,223,86-93.

[15]Li-NaYang,Zhu-ZhuSun,Shi-LuChen*,Ze-ShengLi*,Theeffectsofvariousanchoringgroupsonopticalandelectronicpropertiesofdyesindye-sensitizedsolarcells,DyesandPigments,2013,99,29-35.

[16]Shi-LuChen*,M.R.A.Blomberg,P.E.M.Siegbahn*,HowIsMethaneFormedandOxidizedReversiblyWhenCatalyzedbyNi-ContainingMethyl-CoenzymeMReductase?,Chemistry-AEuropeanJournal,2012,18(20),6309-6315.

[17]FawangChen,XiaofangLi,BoWang,TiegangXu,Shi-LuChen*,PengLiu*,ChangwenHu*,MechanismofthecycloadditionofcarbondioxideandepoxidescatalyzedbyCo-substituted12-tungstenphosphate,Chemistry-AEuropeanJournal,2012,18(32),9870-9876.

[18]Shi-LuChen*,Ze-ShengLi,Wei-HaiFang*,Theoreticalinvestigationofastacinproteolysis,JournalofInorganicBiochemistry,2012,111,70-79.

[19]Shi-LuChen*,M.R.A.Blomberg,P.E.M.Siegbahn*,HowIsaCo-MethylIntermediateFormedintheReactionofCobalamin-DependentMethionineSynthase?TheoreticalEvidenceforaTwo-StepMethylCationTransferMechanism,J.Phys.Chem.B,2011,115(14),4066-4077.

[20]Yue-JieAi,Rong-ZhenLiao,Shi-LuChen,Wei-JieHua,Wei-HaiFang*,andYiLuo*,RepairofDNADewarPhotoproductto(6-4)Photoproductin(6-4)Photolyase,J.Phys.Chem.B,2011,115(37),10976-10982.

[21]P.E.M.Siegbahn*,M.R.A.Blomberg,Shi-LuChen,SignificantvanderWbblsEffectsinTransitionMetalComplexes,J.Chem.TheoryComput.,2010,6(7),2040-2044.

[22]Shi-LuChen*,V.Pelmenschikov,M.R.A.Blomberg,P.E.M.Siegbahn*,IsThereaNi-MethylIntermediateintheMechanismofMethyl-CoenzymeMReductase,J.Am.Chem.Soc.,2009,131(29),9912-9913.

[23]Shi-LuChen,Wei-HaiFang*,FahmiHimo*,ReactionMechanismoftheBinuclearZincEnzymeGlyoxalaseII–ATheoreticalStudy,JournalofInorganicBiochemistry,2009,103,274-281.

[24]ShiluChen,Wei-HaiFang*,Insightsintophotodissociationdynamicsofacetaldehydefromabinitiocalculationsandmoleculardynamicssimulations,J.Chem.Phys.,2009,131(5),054306.

[25]Shi-LuChen,TizianaMarino,Wei-HaiFang,NinoRusso*,FahmiHimo*,PeptideHydrolysisbytheBinuclearZincEnzymeAminopeptidasefromAeromonasproteolytica:ADensityFunctionalTheoryStudy,J.Phys.Chem.B,2008,112(8),2494-2500.

[26]Shi-LuChen,Wei-HaiFang,FahmiHimo*,TechnicalAspectsofQuantumChemicalModelingofEnzymaticReactions:theCaseofPhosphotriesterase,TheoreticalChemistryAccounts,2008,120,515-522.

[27]JungwookKim,Ping-ChuanTsai,Shi-LuChen,FahmiHimo*,StevenC.Almo*,FrankM.Raushel*,StructureofDiethylPhosphateBoundtotheBinuclearMetalCenterofPhosphotriesterase,Biochemistry,2008,47(36),9497-9504.

[28]Shi-LuChen,Wei-HaiFang,FahmiHimo*,TheoreticalStudyofthePhosphotriesteraseReactionMechanism,J.Phys.Chem.B,2007,111(6),1253-1255.

[29]Shi-LuChen,Wei-HaiFang*,InsightsintoMechanisticPhotodissociationofAcetylChloridebyabInitioCalculationsandMolecularDynamicsSimulations,J.Phys.Chem.A,2007,111(38),9355-9361.

[30]Shi-LvChen,Wei-HaiFang*,InsightsintoPhotodissociationDynamicsofPropionylChloridefromabInitioCalculationsandMolecularDynamicsSimulations,J.Phys.Chem.A,2006,110(3),944-950.

[31]Shi-LvChen,FenDing,YuLiu,Hui-ChunZhao*,ElectrochemiluminescenceofTerbium(III)-TwoFluoroquinolones-SodiumSulfiteSysteminAqueousSolution,SpectrochimicaActaPartA,2006,64,130-135.

[32]Shi-LvChen,YuLiu,Hui-ChunZhao*,Lin-PeiJin,Zhong-LunZhang,Yan-ZhenZheng,DeterminationofNorfloxacinUsingaTerbium-SensitizedElectrogeneratedChemiluminescenceMethod,Luminescence,2006,21,20-25.

[33]ShilvChen,HuichunZhao*,XiaoliWang,XiaLi,LinpeiJin,DeterminationofTrivalentEuropiumUsingFlowInjectionChemiluminescenceMethod,AnalyticaChimicaActa,2004,506,25-29.

[34]ShilvChen,HongwuMa,HuichunZhao*,RuiqingFeng,LinpeiJin,TerbiumSensitizedFluorescenceMethodfortheDeterminationofPazufloxacinMesilateandItsApplication,AnalyticalSciences,2004,20,1075-1078.

[35]Shi-LuChen,Hui-ChunZhao*,Chun-YanSun,NingLian,andLin-PeiJin,AStudyonTerbiumSensitizedChemiluminescenceofPipemidicAcidandItsApplication,AnalyticalLetters,2002,35(10),1705-1714.